Information card for entry 4082941

Structure parameters

• Formula: C64 H104 Cl12 N8 O8 S10 Sn6
• Calculated formula: C64 H104 Cl12 N8 O8 S10 Sn6
• SMILES: C1(C)(C)[Sn]234S[Sn]56([S]2[Sn]2(C(C)(C)CC(=[N]2NC(=O)CC27CC8CC(CC(=O)N[N]3=C(C1)C)(CC(C8)C2)C7)C)(S4)S5)S[Sn]12(S[Sn]345C(C)(C)CC(C)=[N]3NC(=O)CC37CC8CC(C3)CC(C8)(C7)CC(=O)N[N]3=C(CC(C)(C)[Sn]3(S4)(S1)[S]25)C)S6.O1CCOCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O1CCOCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design
• Authors of publication: Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1678
• a: 13.7197 ± 0.0007 Å
• b: 30.9148 ± 0.001 Å
• c: 11.103 ± 0.0005 Å
• α: 90°
• β: 99.732 ± 0.004°
• γ: 90°
• Cell volume: 4641.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No